SCHEMBL6232876

SCHEMBL6232876

COC(=O)c1nc2ccc(C(=O)c3ccccc3)c(N)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ABL1 P00519 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FABP6 P51161 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL11372873 0.76 FGFR1 (0.35) ALDH1A1USP2LMNAHTTKMT2A
SCHEMBL55693 0.73 ALDH1A1 (0.44) CYP1A2CYP2C9ALDH1A1LMNAKMT2A
SCHEMBL7363335 0.72 FGFR1 (0.36) ALDH1A1LMNAHTTKMT2AHPGD
SCHEMBL6233928 0.72 TUBB4A (0.40) CYP1A2LMNAHIF1ATSHRMAPT
SCHEMBL6232025 0.72 MAPK1 (0.40) CYP1A2ALDH1A1LMNAHIF1AHPGD
SCHEMBL6237667 0.71 CYP1A2 (0.41) CYP1A2CYP2C9ALDH1A1LMNAHTT
SCHEMBL11375853 0.69 XDH (0.39) CYP1A2CYP2C9ABL1ALDH1A1FGFR1
SCHEMBL31024286 0.69 BRD4 (0.38) CYP1A2CYP2C9ALDH1A1LMNAHTT
SCHEMBL24113223 0.68 NR4A2 (0.48) ABL1ALDH1A1LMNAHTTKMT2A
SCHEMBL31568995 0.68 MAPT (0.44) CYP1A2CYP2C9ABL1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896517-B1 METHOD FOR PROMOTING HAIR, NAIL, AND SKIN KERATINIZATION SCHICK MARY P (US) 2005-05-25 — — EP disclosed
US-5861142-A DERMATOLOGY AND GROWTH OF HAIR NAILS AND SKIN SCHICK MARY PICHLER (US) 1999-01-19 — — US disclosed
Send feedback