SCHEMBL8628537

SCHEMBL8628537

Nc1ccc2[nH]cc(N)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1D P28221 3/20 0.46
HTR1B P28222 2/20 0.46
CLK1 P49759 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL4036712 0.78 EGFR (0.57) HPGDCYP2C19HTR1DHTR1BCLK1
SCHEMBL3631962 0.78 GPR84 (0.58) HTR1DHTR1BCLK1HTR2ATRPM8
SCHEMBL3301509 0.78 HPGD (0.46) HPGDCYP2C19HTR1DHTR1BCLK1
SCHEMBL3624363 0.78 MPO (0.59) HTR2ATRPM8HTR1ATSHRHTR2C
SCHEMBL3116936 0.78 ATM (0.52) HPGDCYP2C19HTR1DHTR1BCLK1
SCHEMBL23612158 0.78 HTR2C (0.56) HPGDCYP2C19HTR1DHTR1BHTR2A
SCHEMBL15554430 0.78 MPO (0.47) HPGDCYP2C19HTR1DHTR1BCLK1
SCHEMBL2736671 0.78 HTR2A (0.56) HTR1DHTR1BTUBB4ATUBBTUBA3C
SCHEMBL21623874 0.78 HPGD (0.50) HPGDCYP2C19HTR1DHTR1BCLK1
SCHEMBL30415771 0.78 GPR84 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-0614915-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-06-24 EP disclosed
US-5420214-A Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0614915-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP disclosed