SCHEMBL11638830

SCHEMBL11638830

ClCc1cc2onc3ccccc3c-2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MAOB P27338 1/20 0.31
▸ HSD17B10 Q99714 3/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30

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
SCHEMBL10598338 0.70 CYP1A2 (0.37) KMT2AALDH1A1HPGDSMN1; SMN2BRD4
SCHEMBL16118411 0.63 GPR3 (0.40) KMT2AALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL7217441 0.63 MAOA (0.44) KMT2AALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL31001160 0.62 ALDH1A1 (0.46) KMT2AALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL7144568 0.60 KMT2A (0.33) KMT2AALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL5520110 0.60 NPC1 (0.58) KMT2AALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL5901584 0.59 SCD5 (0.41) KMT2AALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL5276597 0.59 GPR3 (0.40) KMT2AALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL1013979 0.59 ALDH1A1 (0.44) KMT2AALDH1A1HPGDSMN1; SMN2BRD4
SCHEMBL1423001 0.59 GPR3 (0.46) KMT2AALDH1A1HPGDSMN1; SMN2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122256-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4052433-A INTERMEDIATES FOR BENZOFURANS HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 — — US disclosed
US-3994879-A CONDENSING AZOMETHINES, OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-30 — — US disclosed
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