SCHEMBL6268159

SCHEMBL6268159

CC1(c2ccccn2)NN=C(c2ccccn2)S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ KDM4E B2RXH2 7/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ DOHH Q9BU89 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ ALOX15 P16050 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34

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
SCHEMBL6266093 0.85 ADAMTS5 (0.40) RAB9ANPC1KDM4ELMNAPOLB
SCHEMBL6265491 0.81 ADAMTS5 (0.45) RAB9ANPC1KDM4ELMNAMAPT
SCHEMBL6271575 0.80 ADAMTS5 (0.35) KDM4EMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL6266331 0.72 ADAMTS5 (0.42) RAB9ANPC1KDM4ECYP1A2MAPT
SCHEMBL6265204 0.70 ADAMTS5 (0.37) LMNAMAPTL3MBTL1TDP1HTT
SCHEMBL6265252 0.69 ADAMTS5 (0.46) RAB9ANPC1KDM4ELMNAMAPT
SCHEMBL6276626 0.66 ADAMTS5 (0.51) RAB9ANPC1LMNAPOLBMAPT
SCHEMBL21664142 0.65 KDM4E (0.43) RAB9ANPC1KDM4ELMNACCR1
Dipyridyl SCHEMBL28760321 0.61 KDM4E (0.88) RAB9ANPC1KDM4ELMNACCR1
Dipyridyl SCHEMBL27651116 0.61 KDM4E (0.88) RAB9ANPC1KDM4ELMNACCR1

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
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO claimed
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO disclosed
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