Pyrrole

Pyrrole

SCHEMBL27416005

c1cc[nH]c1.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccoc1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.40
▸ NQO1 P15559 5/20 0.38
▸ HPRT1 P00492 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pyrrole SCHEMBL27266989 0.92 KIF11 (0.45) KIF11NQO1HPRT1ALDH1A1MAPT
Furan SCHEMBL27350894 0.92 HPRT1 (0.44) KIF11NQO1HPRT1ALDH1A1MAPT
Furan SCHEMBL27410646 0.92 HPRT1 (0.44) KIF11NQO1HPRT1ALDH1A1MAPT
Phenanthrene SCHEMBL27776376 0.92 HPRT1 (0.44) KIF11NQO1HPRT1ALDH1A1MAPT
Furan SCHEMBL27257225 0.92 HPRT1 (0.44) KIF11NQO1HPRT1ALDH1A1MAPT
Furan SCHEMBL27944173 0.90 HPRT1 (0.42) KIF11NQO1HPRT1ALDH1A1MAPT
Furan SCHEMBL27539764 0.90 HPRT1 (0.42) KIF11NQO1HPRT1ALDH1A1MAPT
Furan SCHEMBL28784294 0.90 HPRT1 (0.42) KIF11NQO1HPRT1ALDH1A1MAPT
Naphthalene SCHEMBL28211452 0.90 HPRT1 (0.42) KIF11NQO1HPRT1ALDH1A1MAPT
Pyrrole SCHEMBL28193011 0.90 KIF11 (0.44) KIF11NQO1HPRT1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106279482-A A kind of preparation method of ultra-high molecular weight polyethylene 镇江荣诚管业有限公司 2017-01-04 — — CN claimed
CN-102417555-A Preparation method of ultrahigh molecular weight polyethylene CHINA PETROLEUM & CHEMICAL 2012-04-18 — — CN claimed
CN-106279482-A A kind of preparation method of ultra-high molecular weight polyethylene 镇江荣诚管业有限公司 2017-01-04 — — CN disclosed
CN-102417555-A Preparation method of ultrahigh molecular weight polyethylene CHINA PETROLEUM & CHEMICAL 2012-04-18 — — CN disclosed
CN-1088056-C Process for preparing intermediates for the synthesis of antifungal agents SCHERING CORP (US) 2002-07-24 — — CN disclosed
CN-1147807-A Process for the preparation of intermediates useful in the synthesis of fungicides SCHERING CORP (US) 1997-04-16 — — CN disclosed
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