SCHEMBL11685049

SCHEMBL11685049

C=CCn1nc(-c2ccc(Cl)cc2)c2cc3ccccc3cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTR7 P34969 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11681541 0.83 NR1H3 (0.47) PRKDCPIK3CDMAPTALDH1A1NPSR1
SCHEMBL11682571 0.81 ESR1 (0.46) MAPTALDH1A1NPSR1LMNACYP1A2
SCHEMBL11685644 0.80 PIK3CD (0.46) PRKDCPIK3CDMAPTALDH1A1NPSR1
SCHEMBL11682150 0.75 KHK (0.44) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL11683265 0.72 KDM4E (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11684444 0.68 KDM4E (0.46) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL11685205 0.65 MAP2K4 (0.50) MAPTALDH1A1NPSR1LMNACYP1A2
SCHEMBL11640838 0.65 MAPT (0.58) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL13019688 0.63 PIK3CD (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2982125 0.63 PTGER4 (0.49) MAPTALDH1A1NPSR1CYP1A2CYP3A4

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
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 — — US claimed
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 — — US disclosed
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